SCHEMBL5030620

SCHEMBL5030620

N#Cc1ccc(OCCCOc2ccc(-c3cc4ccc(C#N)cc4o3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
BCHE P06276 4/20 0.43
HRH2 P25021 4/20 0.43
HRH1 P35367 4/20 0.43
GLA P06280 1/20 0.43
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
TNKS O95271 1/20 0.43
MMP2 P08253 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PGR P06401 1/20 0.42
MMP3 P08254 2/20 0.41
MAOB P27338 2/20 0.41
SHBG P04278 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5030514 0.97 BCHE (0.46) HRH3BCHEHRH2HRH1GLA
SCHEMBL5028049 0.96 BCHE (0.47) HRH3BCHEHRH2HRH1GLA
SCHEMBL5030602 0.96 BCHE (0.47) HRH3BCHEHRH2HRH1GLA
SCHEMBL5028099 0.89 APP (0.44) HRH3BCHEHRH2HRH1CNR1
SCHEMBL5032784 0.89 BCHE (0.45) BCHEGLACNR1ACHEPGR
SCHEMBL5030436 0.86 BCHE (0.46) HRH3BCHEHRH2HRH1CNR1
SCHEMBL5034735 0.86 BCHE (0.47) BCHEGLACNR1ACHEMAOB
SCHEMBL5030544 0.85 BCHE (0.47) HRH3BCHEHRH2HRH1CNR1
SCHEMBL5030378 0.85 BCHE (0.47) HRH3BCHEHRH2HRH1CNR1
SCHEMBL5028763 0.85 BCHE (0.49) BCHEGLACNR1ACHEMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HRH3 977/4885BCHE 2848/4885HRH2 1373/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HRH3 977/4885BCHE 2848/4885HRH2 1373/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HRH3 977/4885BCHE 2848/4885HRH2 1373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.